SCHEMBL12612705

SCHEMBL12612705

c1cc(-c2ccc3ccc4c(-c5ccc6ncccc6c5)ccc5ccc2c3c54)cc(-c2cccc3c2oc2ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.49
ALOX5 P09917 2/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ERN1 O75460 1/20 0.39
DYRK1A Q13627 1/20 0.39
GGPS1 O95749 1/20 0.39
PRKDC P78527 1/20 0.38
PSMD14 O00487 1/20 0.37
TP53 P04637 1/20 0.37
MMP2 P08253 1/20 0.37
MAPT P10636 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12612625 0.97 GRM4 (0.50) GRM4ALOX5JAK2JAK1TYK2
SCHEMBL12380191 0.89 GRM4 (0.46) GRM4ALOX5JAK2JAK1TYK2
SCHEMBL12380186 0.88 ALOX5 (0.53) ALOX5NPC1RAB9AGGPS1PRKDC
SCHEMBL12380139 0.86 ALOX5 (0.53) ALOX5GGPS1PRKDCMAPTPTGES2
SCHEMBL12380212 0.86 ALOX5 (0.57) ALOX5RAB9AGGPS1PRKDCPTGES2
SCHEMBL15446955 0.86 GRM4 (0.48) GRM4ALOX5JAK2JAK1TYK2
SCHEMBL12613016 0.86 GRM4 (0.47) GRM4ALOX5JAK2JAK1TYK2
SCHEMBL12613076 0.85 ALOX5 (0.48) ALOX5JAK2NPC1GGPS1PRKDC
SCHEMBL12380342 0.85 ALOX5 (0.53) ALOX5NPC1RAB9AGGPS1PRKDC
SCHEMBL9920860 0.85 ALOX5 (0.56) ALOX5GGPS1PRKDCPTGES2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 US disclosed
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 US disclosed